2,6-dinitro-4-(octan-2-yl)phenyl but-2-enoate
Chemical Structure Depiction of
2,6-dinitro-4-(octan-2-yl)phenyl but-2-enoate
2,6-dinitro-4-(octan-2-yl)phenyl but-2-enoate
Compound characteristics
| Compound ID: | 8009-9872 |
| Compound Name: | 2,6-dinitro-4-(octan-2-yl)phenyl but-2-enoate |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C18 H24 N2 O6 |
| Smiles: | CCCCCCC(C)c1cc(c(c(c1)[N+]([O-])=O)OC(/C=C/C)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8782 |
| logD: | 5.8782 |
| logSw: | -5.3706 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.627 |
| InChI Key: | YHVJMJFNSRLYIC-ZDUSSCGKSA-N |